ethyl 6-(4,4-dimethylthiochromen-6-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(4,4-dimethylthiochromen-6-yl)pyridine-3-carboxylate Openeye Name: ethyl 6-(4,4-dimethylthiochromen-6-yl)pyridine-3-carboxylate CAS Name: 6-(4,4-dimethyl-1-benzothiopyran-6-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4,4-dimethylthiochromen-6-yl)pyridine-3-carboxylate Traditional Name: 6-(4,4-dimethylthiochromen-6-yl)nicotinic acid ethyl ester Formula: C19H19NO2S MolecularWeight: 325.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C2=CC3=C(C=C2)SC=CC3(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C2=CC3=C(C=C2)SC=CC3(C)C

InChI

InChI=1S/C19H19NO2S/c1-4-22-18(21)14-5-7-16(20-12-14)13-6-8-17-15(11-13)19(2,3)9-10-23-17/h5-12H,4H2,1-3H3